6-Bromo-3,4-dihydro-4,4,5,8-tetramethyl-2H-1-benzothiopyran

HCID 12993685
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Basic information

Standard SMILES
Cc1cc(Br)c(C)c2c1SCCC2(C)C
InChIKey
NMIYDDCTPQESCO-UHFFFAOYSA-N
Molecular formula
C13H17BrS
Average molar mass
285.24 g/mol

Names & identifiers

Preferred name
6-Bromo-3,4-dihydro-4,4,5,8-tetramethyl-2H-1-benzothiopyran
IUPAC
6-bromo-4,4,5,8-tetramethyl-2,3-dihydrothiochromene

Names & synonyms

SCHEMBL6733149NMIYDDCTPQESCO-UHFFFAOYSA-N4,4,5,8-tetramethyl-6-bromothiochroman6-Bromo-3,4-dihydro-4,4,5,8-tetramethyl-2H-1-benzothiopyran

Database identifiers

PubChem CID
12993685

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
25.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
15

Related reactions

7 records
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Linked notes

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